2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine

C9H18F3NS — CID 116617691

IUPAC2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
SMILESCCCC(C)(CN)CCSC(F)(F)F
InChIInChI=1S/C9H18F3NS/c1-3-4-8(2,7-13)5-6-14-9(10,11)12/h3-7,13H2,1-2H3
InChIKeyASVPHAAVJNPLPZ-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.39
Rot. Bonds6

About 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine

2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine (PubChem CID 116617691) has the molecular formula C9H18F3NS and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
PubChem CID116617691
Molecular FormulaC9H18F3NS
Molecular Weight229.31 g/mol
Exact Mass229.11
IUPAC Name2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
SMILESCCCC(C)(CN)CCSC(F)(F)F
InChIInChI=1S/C9H18F3NS/c1-3-4-8(2,7-13)5-6-14-9(10,11)12/h3-7,13H2,1-2H3
InChIKeyASVPHAAVJNPLPZ-UHFFFAOYSA-N
XLogP3.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-Fluorothian-3-yl)-2-methylpropan-1-amine
CID 105445600
2-methyl-N-(2-methylpropyl)-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 113544168
N,2-diethyl-2-[2-(trifluoromethylsulfanyl)ethyl]hexan-1-amine
CID 113544169
[4-Propyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 113545412
2-[3-(1-Fluoroethyl)thian-3-yl]ethanamine
CID 115018806
2-[3-(Difluoromethyl)thian-3-yl]ethanamine
CID 115020350
2,2-Difluoro-2-(3-methylthian-3-yl)ethanamine
CID 115020352
2,2-Difluoro-2-(4-methylthian-4-yl)ethanamine
CID 115020353
2,2-Dimethyl-6-(trifluoromethylsulfanyl)hexan-3-amine
CID 116616625
4-Methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 116617553
2-[2-(Trifluoromethylsulfanyl)ethyl]pentan-1-amine
CID 116617554
[4-Butyl-1-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116617688

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine?
The IUPAC name of 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine (CID 116617691) is 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine?
The canonical SMILES for 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine is CCCC(C)(CN)CCSC(F)(F)F.
What is the InChIKey of 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine?
The InChIKey is ASVPHAAVJNPLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NS/c1-3-4-8(2,7-13)5-6-14-9(10,11)12/h3-7,13H2,1-2H3.
What are the key properties of 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine?
2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine has a molecular weight of 229.31 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(trifluoromethylsulfanyl)ethyl]pentan-1-amine is sourced from PubChem (CID 116617691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).